SCHEMBL9577464

SCHEMBL9577464

CC(C(=O)C(=O)O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.59
MAOB P27338 1/20 0.56
NR4A1 P22736 1/20 0.55
NR4A2 P43354 1/20 0.55
NR4A3 Q92570 1/20 0.55
RXRA P19793 1/20 0.55
RXRB P28702 1/20 0.55
LMNA P02545 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
FFAR1 O14842 1/20 0.54
ACACB O00763 1/20 0.54
LTA4H P09960 1/20 0.53
MRGPRX4 Q96LA9 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8833698 0.88 ALOX5 (0.62) ALOX5MAOBNR4A1NR4A2NR4A3
SCHEMBL2885897 0.88 ALOX5 (0.62) ALOX5MAOBNR4A1NR4A2NR4A3
Hydrochloric Acid SCHEMBL6948842 0.86 ALOX5 (0.60) ALOX5MAOBNR4A1NR4A2NR4A3
SCHEMBL2170633 0.85 ALOX5 (0.67) ALOX5MAOBNR4A1NR4A2NR4A3
SCHEMBL6948837 0.85 ALOX5 (0.59) ALOX5MAOBNR4A1NR4A2NR4A3
SCHEMBL6266373 0.84 LTA4H (0.59) ALOX5MAOBLMNAL3MBTL1ACACB
SCHEMBL28353364 0.84 MRGPRX4 (0.59) ALOX5MAOBNR4A1NR4A2NR4A3
SCHEMBL7401422 0.82 LMNA (0.71) ALOX5MAOBNR4A1NR4A2NR4A3
SCHEMBL13802503 0.81 RXRA (0.57) ALOX5RXRARXRBLMNAFFAR1
SCHEMBL27616913 0.81 MAOB (0.56) ALOX5MAOBNR4A1NR4A2NR4A3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0407588-B1 PROCESS FOR PRODUCING 2-OXO-3-AROMATIC CARBOXYLIC ACID DERIVATIVES SAGAMI CHEM RES (JP) 1993-12-08 EP disclosed
US-5028738-A Process for producing 2-oxo-3-aromatic carboxylic acid derivatives SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-07-02 US disclosed
EP-0407588-A1 PROCESS FOR PRODUCING 2-OXO-3-AROMATIC CARBOXYLIC ACID DERIVATIVES SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-01-16 EP disclosed